Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM223323'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin D (Homo sapiens (Human))	BDBM223323 (US9315520, 10 | US9605007, Example 10 | US9744173,...) Show SMILES COc1cnc(cn1)C(=O)Nc1csc(n1)[C@]12CO[C@@H](C)C[C@H]1CSC(N)=N2 |r,c:29| Show InChI InChI=1S/C17H20N6O3S2/c1-9-3-10-6-28-16(18)23-17(10,8-26-9)15-22-12(7-27-15)21-14(24)11-4-20-13(25-2)5-19-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,18,23)(H,21,24)/t9-,10-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>9.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Cathepsin D (unknown origin) by fluorescence polarization assay				J Med Chem 61: 4476-4504 (2018) Article DOI: 10.1021/acs.jmedchem.8b00246 BindingDB Entry DOI: 10.7270/Q23J3GJ5
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